(3-ethylphenyl)-methylphosphane;1-methyl-3-phenylbenzene;2-propan-2-yldibenzofuran;5,7,7,9-tetramethylbenzo[c]fluorene;1,3,5-trimethylbenzene

C67H71OP — CID 144613287

IUPAC(3-ethylphenyl)-methylphosphane;1-methyl-3-phenylbenzene;2-propan-2-yldibenzofuran;5,7,7,9-tetramethylbenzo[c]fluorene;1,3,5-trimethylbenzene
SMILESCC(C)c1ccc2oc3ccccc3c2c1.CCc1cccc(PC)c1.Cc1cc(C)cc(C)c1.Cc1ccc2c(c1)C(C)(C)c1cc(C)c3ccccc3c1-2.Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C21H20.C15H14O.C13H12.C9H13P.C9H12/c1-13-9-10-17-18(11-13)21(3,4)19-12-14(2)15-7-5-6-8-16(15)20(17)19;1-10(2)11-7-8-15-13(9-11)12-5-3-4-6-14(12)16-15;1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-3-8-5-4-6-9(7-8)10-2;1-7-4-8(2)6-9(3)5-7/h5-12H,1-4H3;3-10H,1-2H3;2-10H,1H3;4-7,10H,3H2,1-2H3;4-6H,1-3H3
InChIKeyKGGPPTQFZSCABS-UHFFFAOYSA-N
MW923.28 g/mol
LogP18.93
Rot. Bonds4

About (3-ethylphenyl)-methylphosphane;1-methyl-3-phenylbenzene;2-propan-2-yldibenzofuran;5,7,7,9-tetramethylbenzo[c]fluorene;1,3,5-trimethylbenzene

(3-ethylphenyl)-methylphosphane;1-methyl-3-phenylbenzene;2-propan-2-yldibenzofuran;5,7,7,9-tetramethylbenzo[c]fluorene;1,3,5-trimethylbenzene (PubChem CID 144613287) has the molecular formula C67H71OP and a molecular weight of 923.28 g/mol. Its IUPAC name is (3-ethylphenyl)-methylphosphane;1-methyl-3-phenylbenzene;2-propan-2-yldibenzofuran;5,7,7,9-tetramethylbenzo[c]fluorene;1,3,5-trimethylbenzene.

Molecular Properties

Compound Name(3-ethylphenyl)-methylphosphane;1-methyl-3-phenylbenzene;2-propan-2-yldibenzofuran;5,7,7,9-tetramethylbenzo[c]fluorene;1,3,5-trimethylbenzene
PubChem CID144613287
Molecular FormulaC67H71OP
Molecular Weight923.28 g/mol
Exact Mass922.52
IUPAC Name(3-ethylphenyl)-methylphosphane;1-methyl-3-phenylbenzene;2-propan-2-yldibenzofuran;5,7,7,9-tetramethylbenzo[c]fluorene;1,3,5-trimethylbenzene
SMILESCC(C)c1ccc2oc3ccccc3c2c1.CCc1cccc(PC)c1.Cc1cc(C)cc(C)c1.Cc1ccc2c(c1)C(C)(C)c1cc(C)c3ccccc3c1-2.Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C21H20.C15H14O.C13H12.C9H13P.C9H12/c1-13-9-10-17-18(11-13)21(3,4)19-12-14(2)15-7-5-6-8-16(15)20(17)19;1-10(2)11-7-8-15-13(9-11)12-5-3-4-6-14(12)16-15;1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-3-8-5-4-6-9(7-8)10-2;1-7-4-8(2)6-9(3)5-7/h5-12H,1-4H3;3-10H,1-2H3;2-10H,1H3;4-7,10H,3H2,1-2H3;4-6H,1-3H3
InChIKeyKGGPPTQFZSCABS-UHFFFAOYSA-N
XLogP18.93
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500923.28
LogP ≤ 518.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-ethyldibenzofuran;2-methylnaphthalene;4-propan-2-ylbenzonitrile;5,7,7,9-tetramethylbenzo[c]fluorene;toluene
CID 144613063
5-(3,5-dimethylphenyl)-7,7,9-trimethylbenzo[c]fluorene;ethane;2-methyl-1-(2-methylphenyl)-4-propan-2-ylbenzene;toluene
CID 144614242
5,7,7,9-tetramethylbenzo[c]fluorene
CID 59595492
2,3-bis(ethenyl)-5-propan-2-yl-1-benzothiophene;1-ethyl-4-[(3E)-hexa-1,3,5-trien-3-yl]-2-(2-methyl-5-phenylphenyl)benzene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene
CID 144614635
2-methyldibenzofuran;3-methyldibenzofuran;1-methylnaphthalene;2-methylnaphthalene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;2-methylpyridine;toluene;2,9,9-trimethylfluorene
CID 158966144
1,2-diethyl-3-(2-methylphenyl)benzene;1-(2-methylphenyl)-2,3-di(propan-2-yl)benzene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene;1,3-xylene
CID 144613457
2,3-bis(ethenyl)-5-methyl-1-benzofuran;1-ethyl-2-(2-methylphenyl)benzene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene
CID 144613327
7,7,9-trimethylfluoreno[2,3-b][1]benzofuran
CID 129267055
2-[7-[bis[4-(4-phenylphenyl)phenyl]methyl]-9,9-dimethylfluoren-2-yl]dibenzofuran
CID 59136953
2-[3-[(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran
CID 59136691
2-[10-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 144583239
2,4-diphenyl-6-(5,7,7-trimethylbenzo[g]fluoren-9-yl)-1,3,5-triazine
CID 169290945

Frequently Asked Questions

What is the IUPAC name of (3-ethylphenyl)-methylphosphane;1-methyl-3-phenylbenzene;2-propan-2-yldibenzofuran;5,7,7,9-tetramethylbenzo[c]fluorene;1,3,5-trimethylbenzene?
The IUPAC name of (3-ethylphenyl)-methylphosphane;1-methyl-3-phenylbenzene;2-propan-2-yldibenzofuran;5,7,7,9-tetramethylbenzo[c]fluorene;1,3,5-trimethylbenzene (CID 144613287) is (3-ethylphenyl)-methylphosphane;1-methyl-3-phenylbenzene;2-propan-2-yldibenzofuran;5,7,7,9-tetramethylbenzo[c]fluorene;1,3,5-trimethylbenzene.
What is the SMILES notation for (3-ethylphenyl)-methylphosphane;1-methyl-3-phenylbenzene;2-propan-2-yldibenzofuran;5,7,7,9-tetramethylbenzo[c]fluorene;1,3,5-trimethylbenzene?
The canonical SMILES for (3-ethylphenyl)-methylphosphane;1-methyl-3-phenylbenzene;2-propan-2-yldibenzofuran;5,7,7,9-tetramethylbenzo[c]fluorene;1,3,5-trimethylbenzene is CC(C)c1ccc2oc3ccccc3c2c1.CCc1cccc(PC)c1.Cc1cc(C)cc(C)c1.Cc1ccc2c(c1)C(C)(C)c1cc(C)c3ccccc3c1-2.Cc1cccc(-c2ccccc2)c1.
What is the InChIKey of (3-ethylphenyl)-methylphosphane;1-methyl-3-phenylbenzene;2-propan-2-yldibenzofuran;5,7,7,9-tetramethylbenzo[c]fluorene;1,3,5-trimethylbenzene?
The InChIKey is KGGPPTQFZSCABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20.C15H14O.C13H12.C9H13P.C9H12/c1-13-9-10-17-18(11-13)21(3,4)19-12-14(2)15-7-5-6-8-16(15)20(17)19;1-10(2)11-7-8-15-13(9-11)12-5-3-4-6-14(12)16-15;1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-3-8-5-4-6-9(7-8)10-2;1-7-4-8(2)6-9(3)5-7/h5-12H,1-4H3;3-10H,1-2H3;2-10H,1H3;4-7,10H,3H2,1-2H3;4-6H,1-3H3.
What are the key properties of (3-ethylphenyl)-methylphosphane;1-methyl-3-phenylbenzene;2-propan-2-yldibenzofuran;5,7,7,9-tetramethylbenzo[c]fluorene;1,3,5-trimethylbenzene?
(3-ethylphenyl)-methylphosphane;1-methyl-3-phenylbenzene;2-propan-2-yldibenzofuran;5,7,7,9-tetramethylbenzo[c]fluorene;1,3,5-trimethylbenzene has a molecular weight of 923.28 g/mol, XLogP of 18.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylphenyl)-methylphosphane;1-methyl-3-phenylbenzene;2-propan-2-yldibenzofuran;5,7,7,9-tetramethylbenzo[c]fluorene;1,3,5-trimethylbenzene is sourced from PubChem (CID 144613287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).